4-bromo-1,3-thiazole-2-carbaldehyde;ethene

C6H6BrNOS — CID 143781529

IUPAC4-bromo-1,3-thiazole-2-carbaldehyde;ethene
SMILESC=C.O=Cc1nc(Br)cs1
InChIInChI=1S/C4H2BrNOS.C2H4/c5-3-2-8-4(1-7)6-3;1-2/h1-2H;1-2H2
InChIKeySZPFWMPAVUBUOB-UHFFFAOYSA-N
MW220.09 g/mol
LogP2.52
Rot. Bonds1

About 4-bromo-1,3-thiazole-2-carbaldehyde;ethene

4-bromo-1,3-thiazole-2-carbaldehyde;ethene (PubChem CID 143781529) has the molecular formula C6H6BrNOS and a molecular weight of 220.09 g/mol. Its IUPAC name is 4-bromo-1,3-thiazole-2-carbaldehyde;ethene.

Molecular Properties

Compound Name4-bromo-1,3-thiazole-2-carbaldehyde;ethene
PubChem CID143781529
Molecular FormulaC6H6BrNOS
Molecular Weight220.09 g/mol
Exact Mass218.94
IUPAC Name4-bromo-1,3-thiazole-2-carbaldehyde;ethene
SMILESC=C.O=Cc1nc(Br)cs1
InChIInChI=1S/C4H2BrNOS.C2H4/c5-3-2-8-4(1-7)6-3;1-2/h1-2H;1-2H2
InChIKeySZPFWMPAVUBUOB-UHFFFAOYSA-N
XLogP2.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-thiazole-2-carbaldehyde;ethene?
The IUPAC name of 4-bromo-1,3-thiazole-2-carbaldehyde;ethene (CID 143781529) is 4-bromo-1,3-thiazole-2-carbaldehyde;ethene.
What is the SMILES notation for 4-bromo-1,3-thiazole-2-carbaldehyde;ethene?
The canonical SMILES for 4-bromo-1,3-thiazole-2-carbaldehyde;ethene is C=C.O=Cc1nc(Br)cs1.
What is the InChIKey of 4-bromo-1,3-thiazole-2-carbaldehyde;ethene?
The InChIKey is SZPFWMPAVUBUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrNOS.C2H4/c5-3-2-8-4(1-7)6-3;1-2/h1-2H;1-2H2.
What are the key properties of 4-bromo-1,3-thiazole-2-carbaldehyde;ethene?
4-bromo-1,3-thiazole-2-carbaldehyde;ethene has a molecular weight of 220.09 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-thiazole-2-carbaldehyde;ethene is sourced from PubChem (CID 143781529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).